2-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl furan-2-carboxylate
Chemical Structure Depiction of
2-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl furan-2-carboxylate
2-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl furan-2-carboxylate
Compound characteristics
| Compound ID: | D288-0045 |
| Compound Name: | 2-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl furan-2-carboxylate |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C23 H24 N4 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1c(C#N)c(NCCOC(c2ccco2)=O)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 5.7575 |
| logD: | 5.7575 |
| logSw: | -5.5971 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.429 |
| InChI Key: | QQZOABXLKPJVFV-UHFFFAOYSA-N |